chempirical

1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate

C11H17N3O2SCAS 365996-05-0255.34 g/mol

Open in Covalent MOL file
OONNHNHS
Carbamate

Properties

Molecular formula
C11H17N3O2S
Molar mass
255.34 g/mol
Exact mass
255.1041 Da
Melting point
91–94 °C
logP
1.85Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
365996-05-0
SMILES
CC(C)(C)OC(=O)N1CCc2[nH]c(=N)sc2C1
InChIKey
BMLHPGOMLGKYIJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)

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Names and synonyms

4 names
  • Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester
  • 2-Amino-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester
  • 2-Amino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester
  • tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5-(4H)-carboxylate

Work with 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-045 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-542 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-841 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-840 % similar N-Boc-diethanolamine103898-11-940 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-140 % similar N-Boc-piperazine57260-71-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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